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January 28, 2026
C3HNO3N2
Datos Químicos de C3HNO3N2
ID
130620
Molecular Scaffold
gOy`BETfVKZfP@
Molecular Formula
C3HNO3N2
Elemental Composition %
C: 30%
H: 10%
O: 30%
N: 30%
Weight
127.059
Programa de Cálculo
G16
SMILES
N#N.O=C(C=NO1)C1=O
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C3HNO3.N2/c5-2-1-4-7-3(2)6;1-2/h1H;
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
HFUTYNUZPVYJOX-UHFFFAOYSA-N